Geometry & MOs

Info

ID:	172968
PubChem CID:	75575906
Reduced:	N3O6C19H23 (1)
Stoich.:	A3B6C19D23 (1)
Weight, g/mol:	365.1223
ΔH_f, kcal/mol:	-127.43
Dipole, Da:	6.89
IP(EA), eV:	-9.7(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N,N-diethyl-3-(8-nitro-2,3-dioxo-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]dioxin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)OC(=O)C(C)(C)C)[N+](=O)[O-])C#N

DOS

IR

Vibrations